SCHEMBL22247627

SCHEMBL22247627

CCn1cc(CCCCO)nn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.48
▸ GGPS1 O95749 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ GBA1 P04062 2/20 0.41
▸ HSP90AB1 P08238 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13359255 0.87 POLB (0.47) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL14982736 0.87 CYP19A1 (0.50) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL19535080 0.86 HRH4 (0.50) CYP19A1GGPS1HRH4HRH3GBA1
SCHEMBL3549774 0.85 CYP19A1 (0.62) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL3546675 0.84 CYP19A1 (0.65) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL22794232 0.84 CYP19A1 (0.65) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL22701235 0.84 CYP19A1 (0.65) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL25836828 0.84 CYP19A1 (0.65) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL25837226 0.84 CYP19A1 (0.65) CYP19A1GGPS1HRH4HRH3L3MBTL1
SCHEMBL5021080 0.83 L3MBTL1 (0.56) CYP19A1GGPS1HRH4HRH3L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
US-20200232017-A1 HIGH INTENSITY LABELED REACTANT COMPOSITIONS AND METHODS FOR SEQUENCING Quantum-Si Incorporated 2020-07-23 — — US disclosed
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